| ²é¿´: 580 | »Ø¸´: 1 | ||
122ybbÒø³æ (СÓÐÃûÆø)
|
[ÇóÖú]
nbo´íÎó
|
|
ÎÒËãNBOʱÿ´Î¶¼Óöµ½Õâ¸ö´íÎó£¬ÔÚСľ³æÉÏÕÒÁ˺öàҲû½â¾ö£¬£¬Ð¡µÜÊǸö³õѧ²ËÄñ£¬ÄÄλ´óÉñ°ïæ½â¾öһϣ¬²»Éõ¸Ð¼¤£¡£¡£¡ NBStor is confused about NOcc. Error termination via Lnk1e in h:\l607.exe at Fri Apr 24 16:03:21 2015 ÊäÈëÐÅÏ¢ÈçÏ %chk=nbo-Ru(PO4)4.chk # ub3lyp/GENECP pop=(nbo,savenbos) iop(6/76=8) geom=connectivity Title Card Required -7 4 Ru P 1 B1 P 1 B2 2 A1 O 2 B3 1 A2 3 D1 O 2 B4 1 A3 3 D2 O 2 B5 1 A4 5 D3 O 2 B6 1 A5 5 D4 |
» ²ÂÄãϲ»¶
ºÓÄÏÒ»±¾¸ßУ»¯Ñ§£¬²ÄÁÏ£¬»¯¹¤×¨ÒµÕÐÊÕÑо¿Éú
ÒѾÓÐ0È˻ظ´
´óÁ¬º£Ê´óѧ´¬²°½à¾»ÄÜÔ´Ñо¿ÖÐÐÄ2026Ä격ʿÑо¿ÉúÕÐÉúÆôÊÂ
ÒѾÓÐ10È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ217È˻ظ´
2026ÄêÏæÌ¶´óѧ½ÓÊÕ»¯Ñ§¹¤³ÌÓë¼¼ÊõÏà¹Ø·½ÏòѧÊõÐÍ˶ʿÑо¿Éúµ÷¼ÁÉú
ÒѾÓÐ1È˻ظ´
2026ºþ±±Ê¦·¶´óѧ»¯Ñ§»¯¹¤Ñ§ÔºÕÐÊÕ˶ʿÑо¿Éúµ÷¼Á
ÒѾÓÐ0È˻ظ´
2026ºþ±±Ê¦·¶´óѧ»¯Ñ§»¯¹¤Ñ§ÔºÕÐÊÕÑо¿Éúµ÷¼Á
ÒѾÓÐ0È˻ظ´
26Äê²ÄÁÏ/»¯Ñ§Ïà¹Ø×¨Òµ²©Ê¿Ñо¿ÉúÕÐÉú ÎÂÖÝ´óѧ»¯Ñ§Óë²ÄÁϹ¤³ÌѧԺ(26ÄêÇï¼¾Èëѧ)
ÒѾÓÐ0È˻ظ´
0703µ÷¼Á
ÒѾÓÐ1È˻ظ´
2026Ä격ʿÑо¿ÉúÕÐÉú
ÒѾÓÐ1È˻ظ´

С·¶·¶1989
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 123 (¸ßÖÐÉú)
- ½ð±Ò: 3821.3
- É¢½ð: 968
- ºì»¨: 243
- Ìû×Ó: 1979
- ÔÚÏß: 452.8Сʱ
- ³æºÅ: 2013403
- ×¢²á: 2012-09-19
- ÐÔ±ð: GG
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
|
ÕâÊÂÎÒµ±Ê±¼ÆËãnboÊǵÄÎļþ %chk=erbentong.chk %mem=500MB %nprocs=1 #p b3lyp/6-31g* gfinput pop=(full,savenbo) test 0 1 C 0.00000000 -0.90253200 0.00059800 O 0.00000000 -2.13107400 0.00149600 C -1.35810900 -0.22515000 0.00017900 C -1.63851700 1.15173300 0.00051800 C -2.45557200 -1.11053200 -0.00049800 C -2.95374200 1.61927500 0.00017400 H -0.85393800 1.89171700 0.00110100 C -3.76569000 -0.64688500 -0.00088100 H -2.24688800 -2.17361800 -0.00070800 C -4.02295600 0.72594000 -0.00054300 H -3.13658500 2.69043200 0.00048000 H -4.58794500 -1.35738800 -0.00143500 H -5.04536100 1.09446300 -0.00081600 C 1.35810900 -0.22515000 0.00017900 C 1.63851700 1.15173300 0.00047000 C 2.45557200 -1.11053200 -0.00045500 C 2.95374200 1.61927500 0.00012100 H 0.85393800 1.89171700 0.00102100 C 3.76569100 -0.64688500 -0.00084200 H 2.24688800 -2.17361800 -0.00063000 C 4.02295600 0.72594000 -0.00055200 H 3.13658500 2.69043200 0.00039000 H 4.58794500 -1.35738800 -0.00136100 H 5.04536100 1.09446300 -0.00082900 |

2Â¥2015-04-27 12:00:20













»Ø¸´´ËÂ¥